Information card for entry 4078733

Structure parameters

• Formula: C36 H53 N Ru3
• Calculated formula: C36 H52 N Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([H]8)([Ru]8%15%16%171([H]%14)([C]13=[N]2%13C=CC(=C1)C)[c]1([c]%16([c]%15([c]%17([c]81C)C)C)C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands
• Authors of publication: Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4817
• a: 10.86 ± 0.004 Å
• b: 10.789 ± 0.003 Å
• c: 16.04 ± 0.005 Å
• α: 92.581 ± 0.012°
• β: 97.913 ± 0.014°
• γ: 113.972 ± 0.012°
• Cell volume: 1690.3 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No